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Bromophenol Blue

CAT: 1596-AR-M03022-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
115-39-9
Synonyms
4,4′- (1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene) bis[2,6-dibromophenol]
Molecular Formula
C19H10Br4O5S

Chemical Information

Bromophenol Blue

Bromophenol blue is 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3,5-dibromo-4-hydroxyphenyl groups. It is used as a laboratory indicator, changing from yellow below pH 3 to purple at pH 4.6, and as a size marker for monitoring the progress of agarose gel and polyacrylamide gel electrophoresis. It has also been used as an industrial dye. It has a role as a dye, an acid-base indicator and a two-colour indicator. It is a member of phenols, an organobromine compound, a 2,1-benzoxathiole, a sultone and an arenesulfonate ester.

CAS Number115-39-9
PubChem CID8272
IUPAC Name2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol
Molecular FormulaC19H10Br4O5S
Molecular Weight670.0
XLogP5.8
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity662
SMILES
C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)Br)O)Br)C4=CC(=C(C(=C4)Br)O)Br
InChI
InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H
InChIKey
UDSAIICHUKSCKT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromophenol Blue
CAS: 115-39-9
CID: 8272
Formula: C19H10Br4O5S
MW: 670.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight670.0
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass669.69415
Monoisotopic Mass665.69824
Topological Polar Surface Area92.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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